Clitidine 5'-phosphate

Base Information

• Chemical Name: Clitidine 5'-phosphate
• CAS No.: 65411-71-4
• Molecular Formula: C11H15N2O9P
• Molecular Weight: 350.222
• DSSTox Substance ID: DTXSID90984027
• Nikkaji Number: J585.407E
• Wikidata: Q27106185
• Metabolomics Workbench ID: 68846
• Mol file: 65411-71-4.mol

Synonyms:Clitidine 5'-phosphate;C08429;AC1L9BAA;CHEBI:3747;DTXSID90984027;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid;Q27106185;1,4-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid;1,4-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridine-3-carboxylic acid;4-Imino-1-(5-O-phosphonopentofuranosyl)-1,4-dihydropyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-4-imino-pyridine-3-carboxylic acid

Chemical Property of Clitidine 5'-phosphate

Chemical Property:

• Vapor Pressure: 3.35E-21mmHg at 25°C
• Boiling Point: 676.4°Cat760mmHg
• Flash Point: 362.9°C
• PSA: 192.34000
• Density: 2g/cm³
• LogP: -1.50600
• XLogP3: -3.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 350.05151706
• Heavy Atom Count: 23
• Complexity: 613

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=C(C1=N)C(=O)O)C2C(C(C(O2)COP(=O)(O)O)O)O
• Isomeric SMILES: C1=CN(C=C(C1=N)C(=O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

Technology Process of Clitidine 5'-phosphate

There total 5 articles about Clitidine 5'-phosphate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 55.0%

1-[O5-(2-adenosin-5'-yloxy-1,2-dihydroxy-phosphoryl)-β-D-ribofuranosyl]-4-imino-1,4-dihydro-pyridine-3-carboxylic acid (65459-08-7) → clitidine 5'-mononucleotide (65411-71-4)

Guidance literature:

With tris hydrochloride; magnesium chloride; at 37 ℃; for 5h;

DOI:10.1016/S0031-9422(00)90634-4

Reference yield: 40.0%

clitidine (63592-84-7) → clitidine 5'-mononucleotide (65411-71-4)

Guidance literature:

With pyridine; water; trichlorophosphate; In acetonitrile; for 4h; 0 deg C to room temperature;

DOI:10.1016/S0031-9422(00)90634-4

Reference yield:

1-[O5-(2-adenosin-5'-yloxy-1,2-dihydroxy-phosphoryl)-β-D-ribofuranosyl]-4-imino-1,4-dihydro-pyridine-3-carboxylic acid (65459-08-7) → clitidine 5'-mononucleotide (65411-71-4) + 5'-adenosine monophosphate (61-19-8,24937-83-5,67583-85-1)

Guidance literature:

With tris hydrochloride; magnesium chloride; at 37 ℃; for 12h;

DOI:10.1246/bcsj.54.212

upstream raw materials:

1-[O⁵-(2-adenosin-5'-yloxy-1,2-dihydroxy-phosphoryl)-β-D-ribofuranosyl]-4-imino-1,4-dihydro-pyridine-3-carboxylic acid

clitidine

1-[O⁵-(2-adenosin-5'-yloxy-1,2-dihydroxy-phosphoryl)-β-D-ribofuranosyl]-4-imino-1,4-dihydro-pyridine-3-carboxylic acid methyl ester

NAD

Downstream raw materials:

clitidine